SCHEMBL24083945

SCHEMBL24083945

CCC(O)COc1ccc(C(C)(C)c2ccc(OCCCN3CCNCC3)cc2)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ POLB P06746 1/20 0.43
▸ HRH2 P25021 3/20 0.43
▸ HRH1 P35367 3/20 0.43
▸ HRH3 Q9Y5N1 10/20 0.41
▸ MAOB P27338 4/20 0.41
▸ PSMB1 P20618 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ PSMB2 P49721 1/20 0.41
▸ THRB P10828 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24083869 0.92 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24377888 0.92 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24083883 0.85 MEN1 (0.59) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24083789 0.83 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24083878 0.82 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24083870 0.82 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24377893 0.82 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24083783 0.81 AR (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24083774 0.81 AR (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24377980 0.81 AR (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3245193-B1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2021-12-08 — — EP disclosed
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